# Generate terminally-block titratable amino acids using LEaP.

# Load ff99sb forcefield and constant pH libraries.
source leaprc.constph

# Create blocked amino acid systems.
system = sequence { ACE AS4 NME }
saveamberparm system asp.prmtop asp.inpcrd

system = sequence { ACE GL4 NME }
saveamberparm system glu.prmtop glu.inpcrd

system = sequence { ACE HIP NME }
saveamberparm system his.prmtop his.inpcrd

system = sequence { ACE LYS NME }
saveamberparm system lys.prmtop lys.inpcrd

system = sequence { ACE TYR NME }
saveamberparm system tyr.prmtop tyr.inpcrd

quit